Ultrafast single and double proton transfer in photo-excited [2,2′-bipyridyl]-3,3′-diol
✍ Scribed by H. Zhang; P. van der Meulen; M. Glasbeek
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 441 KB
- Volume
- 253
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
We report on a subpicosecond fluorescence study of [2,2'-bipyridyl]-3,3'-diol using the fluorescent up-conversion technique with a time resolution of --300 fs. A new short-living fluorescence band, peaking at 568 nm, is observed, which is attributed to the emissive keto-enol tautomer. This tautomer is discussed to be formed in its excited singlet state in a stepwise proton transfer mechanism; eventually the keto-enol tautomer decays into the double-protonated di-keto product, which alternatively could also have been formed in a direct double proton transfer reaction.
📜 SIMILAR VOLUMES
## Abstract __Density functional theory and quantum dynamics simulations have been used to study the double‐proton transfer reaction in 2,2′‐bipyridyl‐3,3′‐diol in the first singlet excited electronic state. This process is experimentally known to be branched: It consists of a fast, concerted react
## Thermochemical and mechanistic aspects of tautomerization resulting from proton transfer in [2,2'-bipyridyl]-3,3'-diol have been investigated by ab initio computations. From a classical point of view, complete characterization of energy minima and first-order saddle points indicates that proton